Computational Chemistry

ChemBridge can offer a computational chemistry support to identify: new and active chemical compounds; small molecule  compounds with matching or complementary pharmacophores that may offer better physicochemical properties; identify a series of sub-structure analogs for fast, efficient SAR or lead optimization studies or simply extend the profile of an existing compound collection.

Computational Chemistry Support:

Structure-based drug design: homology modeling, binding site characterization, specific receptor-ligand interactions, virtual high throughput screening and flexible, fast docking techniques.

Ligand-based drug design: using 2D/3D descriptors or 3D pharmacophores; library characterization, lead optimization, property optimization, and scaffold morphing.

Software tools & resources: ICM-Pro, MOE, DayLight, ISIS , and ChemX, providing tools in virtual ligand docking, homology modeling, protein modeling, pharmacophore analysis and modeling, flexible ligand alignment, molecular dynamics, and many others.

For more information, contact sales@chembridge.com.

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